Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6078    0.1015    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5254    0.6972    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.1728    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0890    0.6751    0.5186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.0438    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304   -1.1223   -0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649   -2.0265   -1.4256 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342   -0.9455   -0.6882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9253   -0.5865    1.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8548    0.8428   -0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5265   -0.7651   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974    0.4555    0.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5775    1.5602    1.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758   -0.3211    0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007   -0.0982    2.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8644   -1.6834    1.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2749    0.1651   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6869    1.2732   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433    1.6489   -1.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers